| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 17 | Yes |
Popular Name: (1R,3S)-N-[2-[(2S)-2-ethylpyrrolidin-1-yl]ethyl]-3-methyl-cyclohexanamine (1R,3S)-N-[2-[(2S)-2-ethylpyrrol…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.31 | 8.6 | -113.76 | 3 | 2 | 2 | 21 | 240.435 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 7.43 | -30.6 | 2 | 2 | 1 | 16 | 239.427 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 6.3 | -37.15 | 2 | 2 | 1 | 20 | 239.427 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
